/tools/GeomGCL

GeomGCL

agave233/GeomGCL

22 stars2 forksAdded February 8, 2026
summary

GeomGCL is an implementation of a method for predicting molecular properties using geometric graph contrastive learning. It includes preprocessing steps for molecular datasets and provides a framework for training models on these datasets.

description

Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".

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